SCHEMBL9400066

SCHEMBL9400066

COc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.55
▸ LMNA P02545 5/20 0.51
▸ MAPT P10636 7/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.43
▸ PAX8 Q06710 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9400065 0.91 PDE7A (0.54) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9274565 0.88 PDE7A (0.57) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL2961786 0.83 PDE7A (0.74) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL3839379 0.82 PDE7A (0.53) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL10387432 0.79 PDE7A (0.71) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL7886699 0.79 HPGD (0.57) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL13220955 0.78 PDE7A (0.70) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL2419953 0.77 ALDH1A1 (0.61) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL29780387 0.76 PDE7A (0.82) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5863266 0.76 PDE7A (0.82) PDE7ALMNAMAPTSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281590-A Administering oxazepine derivative for treatment of osteoporosis G. D. SEARLE & CO. (US) 1994-01-25 — — US disclosed
US-5180720-A Prostaglandin E2 antagonists G. D. SEARLE & CO. (US) 1993-01-19 — — US disclosed
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